3-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCCNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-24(2)14-6-13-23-22(26)21-15-17-7-4-5-8-18(17)16-25(21)30(27,28)20-11-9-19(29-3)10-12-20/h4-5,7-12,21H,6,13-16H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1